(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(3-pyridylmethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(9-ethyl-3-carbazolyl)thio]-N-(3-pyridinylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(9-ethylcarbazol-3-yl)thio]-N-(3-pyridylmethyl)propionamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)SCC(C(=O)NCC3=CN=CC=C3)NC(=O)C)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)SC[C@H](C(=O)NCC3=CN=CC=C3)NC(=O)C)C4=CC=CC=C41

InChI

InChI=1S/C25H26N4O2S/c1-3-29-23-9-5-4-8-20(23)21-13-19(10-11-24(21)29)32-16-22(28-17(2)30)25(31)27-15-18-7-6-12-26-14-18/h4-14,22H,3,15-16H2,1-2H3,(H,27,31)(H,28,30)/t22-/m1/s1